5-Nitro-3-(phenylethynyl)pyridin-2-amine

HCID 59322901

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ncc([N+](=O)[O-])cc1C#Cc1ccccc1
InChIKey: ASHWPTNQKVRQEW-UHFFFAOYSA-N
Molecular formula: C13H9N3O2
Average molar mass: 239.23 g/mol

Names & identifiers

Preferred name: 5-Nitro-3-(phenylethynyl)pyridin-2-amine
IUPAC: 5-nitro-3-(2-phenylethynyl)pyridin-2-amine

Names & synonyms

SCHEMBL1772484ASHWPTNQKVRQEW-UHFFFAOYSA-N5-nitro-3-(phenylethynyl)pyridin-2-amine5-Nitro-3-phenylethynyl-pyridin-2-ylamine

Database identifiers

PubChem CID: 59322901

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 359

Related reactions

9 records

New reaction record

HRID 153607As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 506594As productuspto-grants-2010_08

HRID 541064As reactantuspto-grants-2014_10

HRID 947571As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1435585As productuspto-grants-2009_11

HRID 1947423As reactantuspto-grants-2013_03

HRID 2196670As productuspto-grants-2012_12

HRID 2196671As reactantuspto-grants-2012_12

Compound notes

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